N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C13H20BrNS — CID 79352567

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC(NC1C(C)(C)C1(C)C)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-8(9-6-7-10(14)16-9)15-11-12(2,3)13(11,4)5/h6-8,11,15H,1-5H3
InChIKeyGATBBHYTQHSVOB-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.60
Rot. Bonds3

About N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79352567) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79352567
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC(NC1C(C)(C)C1(C)C)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-8(9-6-7-10(14)16-9)15-11-12(2,3)13(11,4)5/h6-8,11,15H,1-5H3
InChIKeyGATBBHYTQHSVOB-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79352567) is N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC(NC1C(C)(C)C1(C)C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is GATBBHYTQHSVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-8(9-6-7-10(14)16-9)15-11-12(2,3)13(11,4)5/h6-8,11,15H,1-5H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79352567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).